4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide

C11H14FN3O4 — CID 107334980

IUPAC4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H14FN3O4/c1-19-10(6-13)5-11(16)14-8-2-7(12)3-9(4-8)15(17)18/h2-4,10H,5-6,13H2,1H3,(H,14,16)
InChIKeyONJYISNHPWGLHX-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.04
Rot. Bonds6

About 4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide

4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide (PubChem CID 107334980) has the molecular formula C11H14FN3O4 and a molecular weight of 271.25 g/mol. Its IUPAC name is 4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide
PubChem CID107334980
Molecular FormulaC11H14FN3O4
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H14FN3O4/c1-19-10(6-13)5-11(16)14-8-2-7(12)3-9(4-8)15(17)18/h2-4,10H,5-6,13H2,1H3,(H,14,16)
InChIKeyONJYISNHPWGLHX-UHFFFAOYSA-N
XLogP1.04
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-5-nitrophenyl)propanamide
CID 107335364
4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide
CID 103155684
6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide
CID 107335083
N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 107335340
methyl 2-(3-fluoro-5-nitroanilino)propanoate
CID 60875357
N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 107335345
methyl 2-(3-fluoro-5-nitroanilino)-3-hydroxypropanoate
CID 62004729
(2S)-2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylpentanamide
CID 107335024
N-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide
CID 107335260
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride
CID 120588070
benzyl N-(3-fluoro-5-nitrophenyl)carbamate
CID 125116358

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide (CID 107334980) is 4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide is COC(CN)CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of 4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide?
The InChIKey is ONJYISNHPWGLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4/c1-19-10(6-13)5-11(16)14-8-2-7(12)3-9(4-8)15(17)18/h2-4,10H,5-6,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide?
4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide has a molecular weight of 271.25 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide is sourced from PubChem (CID 107334980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).